N'-[(E)-benzylideneamino]-N-phenyloctanediamide

C21H25N3O2 — CID 23863272

IUPACN'-[(E)-benzylideneamino]-N-phenyloctanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1)N/N=C/c1ccccc1
InChIInChI=1S/C21H25N3O2/c25-20(23-19-13-7-4-8-14-19)15-9-1-2-10-16-21(26)24-22-17-18-11-5-3-6-12-18/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,23,25)(H,24,26)/b22-17+
InChIKeyQWUKDKCOGVZJLP-OQKWZONESA-N
MW351.45 g/mol
LogP4.12
Rot. Bonds10

About N'-[(E)-benzylideneamino]-N-phenyloctanediamide

N'-[(E)-benzylideneamino]-N-phenyloctanediamide (PubChem CID 23863272) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is N'-[(E)-benzylideneamino]-N-phenyloctanediamide.

Molecular Properties

Compound NameN'-[(E)-benzylideneamino]-N-phenyloctanediamide
PubChem CID23863272
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC NameN'-[(E)-benzylideneamino]-N-phenyloctanediamide
SMILESO=C(CCCCCCC(=O)Nc1ccccc1)N/N=C/c1ccccc1
InChIInChI=1S/C21H25N3O2/c25-20(23-19-13-7-4-8-14-19)15-9-1-2-10-16-21(26)24-22-17-18-11-5-3-6-12-18/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,23,25)(H,24,26)/b22-17+
InChIKeyQWUKDKCOGVZJLP-OQKWZONESA-N
XLogP4.12
TPSA70.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N'-[(E)-benzylideneamino]-N-phenyloctanediamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-[(E)-benzylideneamino]-N-(2-hydroxyphenyl)heptanediamide
CID 23642529
N-[(E)-benzylideneamino]heptanamide
CID 6083821
N-(benzylideneamino)decanamide
CID 3430585
methyl 8-[(2E)-2-benzylidenehydrazinyl]-8-oxooctanoate
CID 23864470
N-(benzylideneamino)-4-(pentanoylamino)benzamide
CID 4926082
N-[(E)-benzylideneamino]-4-(pentanoylamino)benzamide
CID 6232539
N-[(E)-benzylideneamino]butanamide
CID 6872028
N-benzyl-N'-[(E)-benzylideneamino]hexanediamide
CID 56689025
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
11-anilino-11-oxoundecanoic acid
CID 150341840
N'-[(E)-benzylideneamino]-N-butylhexanediamide
CID 171980947
N-(4-bromophenyl)-N'-[(3-bromophenyl)methylideneamino]pentanediamide
CID 3309174

Frequently Asked Questions

What is the IUPAC name of N'-[(E)-benzylideneamino]-N-phenyloctanediamide?
The IUPAC name of N'-[(E)-benzylideneamino]-N-phenyloctanediamide (CID 23863272) is N'-[(E)-benzylideneamino]-N-phenyloctanediamide.
What is the SMILES notation for N'-[(E)-benzylideneamino]-N-phenyloctanediamide?
The canonical SMILES for N'-[(E)-benzylideneamino]-N-phenyloctanediamide is O=C(CCCCCCC(=O)Nc1ccccc1)N/N=C/c1ccccc1.
What is the InChIKey of N'-[(E)-benzylideneamino]-N-phenyloctanediamide?
The InChIKey is QWUKDKCOGVZJLP-OQKWZONESA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(23-19-13-7-4-8-14-19)15-9-1-2-10-16-21(26)24-22-17-18-11-5-3-6-12-18/h3-8,11-14,17H,1-2,9-10,15-16H2,(H,23,25)(H,24,26)/b22-17+.
What are the key properties of N'-[(E)-benzylideneamino]-N-phenyloctanediamide?
N'-[(E)-benzylideneamino]-N-phenyloctanediamide has a molecular weight of 351.45 g/mol, XLogP of 4.12, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-benzylideneamino]-N-phenyloctanediamide is sourced from PubChem (CID 23863272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).